N-[[(3E)-5-methyl-4-oxidanylidene-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[[(3E)-5-methyl-4-oxidanylidene-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[[(3E)-3-(5-isopropyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[[(3E)-5-methyl-4-oxo-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[[(3E)-5-methyl-4-oxo-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[[(3E)-3-(5-isopropyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-5-methyl-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C30H31N5O5S MolecularWeight: 573.66264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C2NC3=C(O2)C=CC(=C3)C(C)C)C1=O)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C/C(=C\2/NC3=C(O2)C=CC(=C3)C(C)C)/C1=O)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C30H31N5O5S/c1-17(2)19-8-10-26-23(14-19)32-29(40-26)22-16-21(13-18(3)27(22)36)31-30(41)33-28(37)20-7-9-24(25(15-20)35(38)39)34-11-5-4-6-12-34/h7-10,13-17,32H,4-6,11-12H2,1-3H3,(H2,31,33,37,41)/b29-22+